1-(1,3-dihydroisoindol-2-yl)ethanimine

C10H12N2 — CID 63173351

IUPAC1-(1,3-dihydroisoindol-2-yl)ethanimine
SMILES[H]/N=C(\C)N1Cc2ccccc2C1
InChIInChI=1S/C10H12N2/c1-8(11)12-6-9-4-2-3-5-10(9)7-12/h2-5,11H,6-7H2,1H3/b11-8+
InChIKeyFHFNOAPSZSEJMB-DHZHZOJOSA-N
MW160.22 g/mol
LogP2.00
Rot. Bonds

About 1-(1,3-dihydroisoindol-2-yl)ethanimine

1-(1,3-dihydroisoindol-2-yl)ethanimine (PubChem CID 63173351) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)ethanimine.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)ethanimine
PubChem CID63173351
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-(1,3-dihydroisoindol-2-yl)ethanimine
SMILES[H]/N=C(\C)N1Cc2ccccc2C1
InChIInChI=1S/C10H12N2/c1-8(11)12-6-9-4-2-3-5-10(9)7-12/h2-5,11H,6-7H2,1H3/b11-8+
InChIKeyFHFNOAPSZSEJMB-DHZHZOJOSA-N
XLogP2.00
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)ethanimine?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)ethanimine (CID 63173351) is 1-(1,3-dihydroisoindol-2-yl)ethanimine.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)ethanimine?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)ethanimine is [H]/N=C(\C)N1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)ethanimine?
The InChIKey is FHFNOAPSZSEJMB-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H12N2/c1-8(11)12-6-9-4-2-3-5-10(9)7-12/h2-5,11H,6-7H2,1H3/b11-8+.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)ethanimine?
1-(1,3-dihydroisoindol-2-yl)ethanimine has a molecular weight of 160.22 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)ethanimine is sourced from PubChem (CID 63173351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).